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Turanecio hypochionaeus: Determination of Its Polyphenol Contents, and Bioactivities Potential Assisted with in Silico Studies.

Dursun KısaRizvan ImamogluZafer KayaTugba Taskin TokParham Taslimi
Published in: Chemistry & biodiversity (2022)
The aim of this study was to identify and quantify the phenolic composition of Turanecio hypochionaeus Bosse and determine the anti-urease, anti-lipase, antidiabetic, anti-melanogenesis, antibacterial, and anti-Alzheimer properties. IC 50 results for all enzymes were obtained between 0.234-116.50 μg/mL and this plant inhibited HMG_CoA R and glucosidase enzymes more with IC 50 values of 0.234 and 116.50 μg/mL, respectively. Among the 11 secondary metabolites identified in T. hypochionaeus extract, chlorogenic acid 255.459±1.17 μg g -1 ), benzoic acid (56.251±1.98 μg g -1 ), and catechin (29.029±0.27 μg g -1 ) were determined as the most abundant phenolic compounds. According to the results of the tested microorganisms, the plant extracts showed antimicrobial and antifungal properties in a dose-dependent manner. In molecular docking study, the interactions of active compounds extracted from Turanecio hypochionaeus plant and showing activity against diverse metabolic enzymes were examined. The most active compound 1, (chlorogenic acid) has -12.80, -12.80, -12.60 and -12.00 kcal/mol binding energy value against HMG_CoA R, and α-amylase, α-glucosidase, and lipase, respectively.
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • fatty acid
  • ms ms
  • oxidative stress
  • anti inflammatory
  • high resolution
  • binding protein
  • climate change
  • molecularly imprinted